Vitas-M small molecule compound
N-{(1Z)-3-{(2E)-2-[2-(benzyloxy)-5-bromobenzylidene]hydrazinyl}-1-[4-(dimethylamino)phenyl]-3-oxoprop-1-en-2-yl}-3-fluorobenzamide
Catalog ID
STK330913
SMILES Brc1ccc(c(c1)/C=N/NC(=O)/C(=C/c1ccc(cc1)N(C)C)/NC(=O)c1cccc(c1)F)OCc1ccccc1
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C32H28BrFN4O3 MW 615.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H28BrFN4O3/c1-38(2)28-14-11-22(12-15-28)17-29(36-31(39)24-9-6-10-27(34)19-24)32(40)37-35-20-25-18-26(33)13-16-30(25)41-21-23-7-4-3-5-8-23/h3-20H,21H2,1-2H3,(H,36,39)(H,37,40)/b29-17-,35-20+InChIKey
KJSLJNAHONDSLG-IASPTZJGSA-NSynonyms
Brc1ccc(c(c1)C=NNC(=O)C(=Cc1ccc(cc1)N(C)C)NC(=O)c1cccc(c1)F)OCc1ccccc1
CN(C)C1=CC=C(C=C1)C=C(C(=O)NN=CC2=C(C=CC(=C2)Br)OCC3=CC=CC=C3)NC(=O)C4=CC(=CC=C4)F
InChI=1SC32H28BrFN4O3c138(2)28141122(121528)1729(3631(39)24961027(34)1924)32(40)373520251826(33)131630(25)4121237435823h320H21H212H3(H3639)(H3740)b29173520+
MFCD01786794
N((1Z)3((2E)2(2(benzyloxy)5bromobenzylidene)hydrazinyl)1(4(dimethylamino)phenyl)3oxoprop1en2yl)3fluorobenzamide
N((Z)3((2E)2((5bromo2phenylmethoxyphenyl)methylidene)hydrazinyl)1(4(dimethylamino)phenyl)3oxoprop1en2yl)3fluorobenzamide
ZINC000097962646
ZINC102038301
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